Journal of Physical Chemistry B, Vol.107, No.8, 1821-1831, 2003
Adsorption and reaction in single-file networks
The possibility of reactivity enhancement by molecular traffic control (MTC) is rationalized by dynamic Monte Carlo simulations in a network of single-file systems. The obtained dependencies may be explained by the peculiarities of molecular propagation in single-file systems and interpreted in a semiquantitative way by adopting a suitable modification of the Thiele concept for evaluating the effectiveness of catalytic reaction under transport limitation. Though the benefit of the so far considered MTC systems has to be purchased by a number of shortcomings, including additional transport inhibition and reduced concentration of reactive sites, there appear to exist promising routes to more complex single-file networks affording reactivity enhancement by molecular traffic control under practically acceptable conditions.